ethyl 5-[4-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[5-(1H-benzimidazol-2-ylthio)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H18N4O4S2 MolecularWeight: 502.56482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4N3)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4N3)C#N)C#N)C

InChI

InChI=1S/C25H18N4O4S2/c1-3-32-24(31)23-14(2)17(13-27)21(34-23)11-20(30)15(12-26)10-16-8-9-22(33-16)35-25-28-18-6-4-5-7-19(18)29-25/h4-10H,3,11H2,1-2H3,(H,28,29)